Long-range intermolecular force theory

Stone AJ, Tough RJA (1984) Spherical tensor theory of long-range intermolecular forces. Chem Phys Lett 110 123-129... 

A. J. Stone and R. J. A. Tough, Chem. Phys. Lett., 110,123 (1984). Spherical Tensor Theory of Long-Range Intermolecular Forces. 

The effect of the long-range intermolecular forces between the electrode and bacteria has been considered by Rutter and Vincent in terms of the DLVO theory.The total free energy of interaction comprises... 

It should be clear to the reader that it is now possible to apply quantum mechanical-based capture theories to a wide variety of reactions dominated by long-range Intermolecular forces. For reactions controlled by shorter range forces the calculations are much harder to... 

We consider first the Maier-Saupe theory and its variants. In its original formulation, this theory assumed that orientational order in nematic liquid crystals arises from long-range dispersion forces that are weakly anisotropic. However, it has been pointed out that the form of the Maier-Saupe potential is equivalent to one in which there are both long-range attractive and short-range repulsive contributions to the intermolecular potential. The general form of this potential is... 

In the previous chapters, the diffusion equation has been used extensively to model fast chemical reaction in solution. By addition of various correction factors (such as intermolecular forces, long-range transfer, solvent structure, hydrodynamic repulsion, etc.), the agreement between experiment and theory can be improved as the model becomes more realistic. Nevertheless, the reactants have been presumed to execute Brownian motion. This is only the long-time limit of their actual behaviour. 

The potential outside the charge distribution and due to it is simply related to the moments, as is the interaction energy when an external field is applied.14 The multipole moments are thus very useful quantities and have been extensively applied in the theory of intermolecular forces, particularly at long range where the electrostatic contribution to the interaction may be expanded in moments. Their values are related to the symmetry of the system thus, for instance, a plane of symmetry indicates that the component of n perpendicular to it must be zero. Such multipoles are worth calculating in their own right. 

In the field of intermolecular forces a book has been published by Kaplan241 which provides a coverage of the theory from long-range forces (including retardation effects) to short-range forces and nonadditivity. The determination of molecular potentials from experimental data is also considered in one chapter of this book. 

The relation between the supermolecule coupled cluster approach and the perturbation theory of intermolecular forces in even less obvious than the case of the Mpller-Plesset theory, and no formal analysis has been reported in the literature thus far. Rode et al.68 analyzed the long-range behavior of the CCSD(T) method65, and showed that this method, although very popular and in principle accurate, may lead to wrong results for systems with the electrostatic term strongly depending on the electronic correlation, e.g. the CO dimer. 

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